Ipatasertib (GDC-0068)

CAT: 1568-C08876-25mgSize: 25 mgDry Ice: YesHazardous: No

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CAT#:1568-C08876-25mgSize:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1001264-89-6

Synonyms

RG7440

Target

Akt

Applications

PI3K/Akt/mTOR

Smiles

CC1CC (C2=C1C (=NC=N2) N3CCN (CC3) C (=O) C (CNC (C) C) C4=CC=C (C=C4) Cl) O

Molecular Formula

C24H32ClN5O2

Additionnal Information

Ipatasertib (GDC-0068, RG7440) is a highly selective pan-Akt inhibitor targeting Akt1/2/3 with IC50 of 5 nM/18 nM/8 nM in cell-free assays, 620-fold selectivity over PKA. Phase 2.

Storage Conditions

2 years -80 in solvent

Chemical Information

Ipatasertib

(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl]-3-(propan-2-ylamino)-1-propanone is a N-arylpiperazine.

CAS Number	1001264-89-6
PubChem CID	24788740
IUPAC Name	(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
Molecular Formula	C24H32ClN5O2
Molecular Weight	458.0
XLogP	2.5
Topological Polar Surface Area	81.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	622

SMILES

C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1

InChIKey

GRZXWCHAXNAUHY-NSISKUIASA-N

Chemical Structure

2D Structure

CAS: 1001264-89-6

CID: 24788740

Formula: C24H32ClN5O2

MW: 458.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	458.0
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	457.2244530
Monoisotopic Mass	457.2244530
Topological Polar Surface Area	81.6 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	622
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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C17982	GDC-0623
C18121	GDC-0326

Alternative Products

Catalog	Name
S2808-10mg	Ipatasertib (GDC-0068)
RM-I250000-01	Ipatasertib; Gdc-0068
MBS384005-01	GDC-0068 (Ipatasertib, RG-7440)
A11246-100	GDC-0068 (Ipatasertib, RG-7440) 100mg
A11246-2	GDC-0068 (Ipatasertib, RG-7440) 2mg
A11246-1000	GDC-0068 (Ipatasertib, RG-7440) 1g
A11246-500	GDC-0068 (Ipatasertib, RG-7440) 500mg
A11246-200	GDC-0068 (Ipatasertib, RG-7440) 200mg
A11246-50	GDC-0068 (Ipatasertib, RG-7440) 50mg
2667-5	GDC-0068

Ipatasertib (GDC-0068)

Chemical Information

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